1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

C17H21N9O — CID 74234278

IUPAC1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
SMILESCc1ccc(-c2nnn(C)n2)cc1NC(=O)NCc1nnc2n1CCCC2
InChIInChI=1S/C17H21N9O/c1-11-6-7-12(16-22-24-25(2)23-16)9-13(11)19-17(27)18-10-15-21-20-14-5-3-4-8-26(14)15/h6-7,9H,3-5,8,10H2,1-2H3,(H2,18,19,27)
InChIKeyLIRREZDRZMVGBJ-UHFFFAOYSA-N
MW367.42 g/mol
LogP1.44
Rot. Bonds4

About 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea (PubChem CID 74234278) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
PubChem CID74234278
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
SMILESCc1ccc(-c2nnn(C)n2)cc1NC(=O)NCc1nnc2n1CCCC2
InChIInChI=1S/C17H21N9O/c1-11-6-7-12(16-22-24-25(2)23-16)9-13(11)19-17(27)18-10-15-21-20-14-5-3-4-8-26(14)15/h6-7,9H,3-5,8,10H2,1-2H3,(H2,18,19,27)
InChIKeyLIRREZDRZMVGBJ-UHFFFAOYSA-N
XLogP1.44
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea with MolForge

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Related Compounds

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-[5-(methanesulfonamido)-2-methylphenyl]urea
CID 72852046
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(4-methylphenyl)urea
CID 17469528
2-methyl-3-(methylamino)-N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide;dihydrochloride
CID 119842665
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-methylphenyl)urea
CID 17463126
3-amino-2-methyl-N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide
CID 120502789
4-methyl-N-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 74243943
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-methylcinnolin-5-yl)urea
CID 118782413
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 55545741
1,4,7-trimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)indole-2-carboxamide
CID 46976546
1-[3-[(S)-methylsulfinyl]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97214594
2,3,5,6-tetramethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 46999266
4-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]benzoic acid
CID 62118709

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea (CID 74234278) is 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea is Cc1ccc(-c2nnn(C)n2)cc1NC(=O)NCc1nnc2n1CCCC2.
What is the InChIKey of 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The InChIKey is LIRREZDRZMVGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9O/c1-11-6-7-12(16-22-24-25(2)23-16)9-13(11)19-17(27)18-10-15-21-20-14-5-3-4-8-26(14)15/h6-7,9H,3-5,8,10H2,1-2H3,(H2,18,19,27).
What are the key properties of 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea has a molecular weight of 367.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(2-methyltetrazol-5-yl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 74234278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).