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

C7H9N7 — CID 131123469

IUPAC4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nccc(NCc2cn[nH]n2)n1
InChIInChI=1S/C7H9N7/c8-7-9-2-1-6(12-7)10-3-5-4-11-14-13-5/h1-2,4H,3H2,(H,11,13,14)(H3,8,9,10,12)
InChIKeyDPRKNHYVCSUWON-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.21
Rot. Bonds3

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

4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 131123469) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID131123469
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nccc(NCc2cn[nH]n2)n1
InChIInChI=1S/C7H9N7/c8-7-9-2-1-6(12-7)10-3-5-4-11-14-13-5/h1-2,4H,3H2,(H,11,13,14)(H3,8,9,10,12)
InChIKeyDPRKNHYVCSUWON-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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine (CID 131123469) is 4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine is Nc1nccc(NCc2cn[nH]n2)n1.
What is the InChIKey of 4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is DPRKNHYVCSUWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c8-7-9-2-1-6(12-7)10-3-5-4-11-14-13-5/h1-2,4H,3H2,(H,11,13,14)(H3,8,9,10,12).
What are the key properties of 4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-(2H-triazol-4-ylmethyl)pyrimidine-2,4-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-(2H-triazol-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131123469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).