4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine

C7H9N7 — CID 79916272

IUPAC4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1NCc1ncn[nH]1
InChIInChI=1S/C7H9N7/c8-5-1-9-3-12-7(5)10-2-6-11-4-13-14-6/h1,3-4H,2,8H2,(H,9,10,12)(H,11,13,14)
InChIKeyCYQFJJWZEVKPDI-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.21
Rot. Bonds3

About 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine

4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 79916272) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine
PubChem CID79916272
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1NCc1ncn[nH]1
InChIInChI=1S/C7H9N7/c8-5-1-9-3-12-7(5)10-2-6-11-4-13-14-6/h1,3-4H,2,8H2,(H,9,10,12)(H,11,13,14)
InChIKeyCYQFJJWZEVKPDI-UHFFFAOYSA-N
XLogP-0.21
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
CID 79918333
2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine
CID 64546102
N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 61253577
3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine
CID 112675660
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 79918373
N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831686
2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193136
4-fluoro-1-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,2-diamine
CID 64546694
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 79917521
6-chloro-5-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193149
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 106035329
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 106392946

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine (CID 79916272) is 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine is Nc1cncnc1NCc1ncn[nH]1.
What is the InChIKey of 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is CYQFJJWZEVKPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c8-5-1-9-3-12-7(5)10-2-6-11-4-13-14-6/h1,3-4H,2,8H2,(H,9,10,12)(H,11,13,14).
What are the key properties of 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine?
4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 191.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79916272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).