1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea

C14H13N7O — CID 121198111

IUPAC1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
SMILESO=C(NCc1cn(-c2cccnc2)nn1)Nc1cccnc1
InChIInChI=1S/C14H13N7O/c22-14(18-11-3-1-5-15-7-11)17-8-12-10-21(20-19-12)13-4-2-6-16-9-13/h1-7,9-10H,8H2,(H2,17,18,22)
InChIKeyOCXBWTPZFALRAN-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.38
Rot. Bonds4

About 1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea

1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea (PubChem CID 121198111) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
PubChem CID121198111
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
SMILESO=C(NCc1cn(-c2cccnc2)nn1)Nc1cccnc1
InChIInChI=1S/C14H13N7O/c22-14(18-11-3-1-5-15-7-11)17-8-12-10-21(20-19-12)13-4-2-6-16-9-13/h1-7,9-10H,8H2,(H2,17,18,22)
InChIKeyOCXBWTPZFALRAN-UHFFFAOYSA-N
XLogP1.38
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
1-(1-adamantyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198143
2-[4-[(pyridin-3-ylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458454
1-(oxan-4-yl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198162
3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
CID 121197969
N-[(1-pyridin-3-yltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 121198002
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198118
2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121198041
4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197820
N-[(1-pyridin-3-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121198065
pyridin-2-ylmethyl N-[(1-pyridin-3-yltriazol-4-yl)methyl]carbamate
CID 121198078

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea?
The IUPAC name of 1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea (CID 121198111) is 1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea.
What is the SMILES notation for 1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea?
The canonical SMILES for 1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea is O=C(NCc1cn(-c2cccnc2)nn1)Nc1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea?
The InChIKey is OCXBWTPZFALRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c22-14(18-11-3-1-5-15-7-11)17-8-12-10-21(20-19-12)13-4-2-6-16-9-13/h1-7,9-10H,8H2,(H2,17,18,22).
What are the key properties of 1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea?
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea has a molecular weight of 295.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea is sourced from PubChem (CID 121198111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).