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

C18H25N5O2 — CID 155944996

IUPAC1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCc1nc2n(n1)CC(NC(=O)Nc1cccc(OCC(C)C)c1)CC2
InChIInChI=1S/C18H25N5O2/c1-12(2)11-25-16-6-4-5-14(9-16)20-18(24)21-15-7-8-17-19-13(3)22-23(17)10-15/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H2,20,21,24)
InChIKeyNABJKHIRACHHJX-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.76
Rot. Bonds5

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

1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 155944996) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID155944996
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCc1nc2n(n1)CC(NC(=O)Nc1cccc(OCC(C)C)c1)CC2
InChIInChI=1S/C18H25N5O2/c1-12(2)11-25-16-6-4-5-14(9-16)20-18(24)21-15-7-8-17-19-13(3)22-23(17)10-15/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H2,20,21,24)
InChIKeyNABJKHIRACHHJX-UHFFFAOYSA-N
XLogP2.76
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide
CID 86889785
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol
CID 95347987
1-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 100729530
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
2-[cyclopropylmethyl-[3-[[3-(2-methylpropoxy)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122076721
3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride
CID 119770741
2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid
CID 61464965
1-[(2-ethoxy-4-methylphenyl)methyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124572180
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
1-[[3-(2-methylpropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076727

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 155944996) is 1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is Cc1nc2n(n1)CC(NC(=O)Nc1cccc(OCC(C)C)c1)CC2.
What is the InChIKey of 1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is NABJKHIRACHHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)11-25-16-6-4-5-14(9-16)20-18(24)21-15-7-8-17-19-13(3)22-23(17)10-15/h4-6,9,12,15H,7-8,10-11H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 155944996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).