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

C10H17N5O — CID 118882749

IUPAC1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea
SMILESCc1nnc2n1CCC(NC(=O)N(C)C)C2
InChIInChI=1S/C10H17N5O/c1-7-12-13-9-6-8(4-5-15(7)9)11-10(16)14(2)3/h8H,4-6H2,1-3H3,(H,11,16)
InChIKeyIYYXVSPGHJWKBE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.17
Rot. Bonds1

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

1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea (PubChem CID 118882749) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea
PubChem CID118882749
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea
SMILESCc1nnc2n1CCC(NC(=O)N(C)C)C2
InChIInChI=1S/C10H17N5O/c1-7-12-13-9-6-8(4-5-15(7)9)11-10(16)14(2)3/h8H,4-6H2,1-3H3,(H,11,16)
InChIKeyIYYXVSPGHJWKBE-UHFFFAOYSA-N
XLogP0.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea (CID 118882749) is 1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea is Cc1nnc2n1CCC(NC(=O)N(C)C)C2.
What is the InChIKey of 1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea?
The InChIKey is IYYXVSPGHJWKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-7-12-13-9-6-8(4-5-15(7)9)11-10(16)14(2)3/h8H,4-6H2,1-3H3,(H,11,16).
What are the key properties of 1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea?
1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea has a molecular weight of 223.28 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea is sourced from PubChem (CID 118882749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).