1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea

C14H20N6O — CID 75461242

IUPAC1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
SMILESCC(C)C(C)N(C)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H20N6O/c1-10(2)11(3)19(4)14(21)18-12-5-6-13(16-7-12)20-9-15-8-17-20/h5-11H,1-4H3,(H,18,21)
InChIKeyRHKAZNODIGZIAR-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.17
Rot. Bonds4

About 1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea

1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea (PubChem CID 75461242) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
PubChem CID75461242
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
SMILESCC(C)C(C)N(C)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H20N6O/c1-10(2)11(3)19(4)14(21)18-12-5-6-13(16-7-12)20-9-15-8-17-20/h5-11H,1-4H3,(H,18,21)
InChIKeyRHKAZNODIGZIAR-UHFFFAOYSA-N
XLogP2.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 62839172
(2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 94812811
1-[1-(furan-2-yl)ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47040652
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526
1-(pyridin-3-ylmethyl)-1-(pyridin-4-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47076580
(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 51957022
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25336972
4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51095167

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The IUPAC name of 1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea (CID 75461242) is 1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea is CC(C)C(C)N(C)C(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The InChIKey is RHKAZNODIGZIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(2)11(3)19(4)14(21)18-12-5-6-13(16-7-12)20-9-15-8-17-20/h5-11H,1-4H3,(H,18,21).
What are the key properties of 1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea has a molecular weight of 288.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea is sourced from PubChem (CID 75461242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).