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

C7H9N7 — CID 64546102

IUPAC2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCc2ncn[nH]2)nc1
InChIInChI=1S/C7H9N7/c8-5-1-9-7(10-2-5)11-3-6-12-4-13-14-6/h1-2,4H,3,8H2,(H,9,10,11)(H,12,13,14)
InChIKeyCMZWHZOTCJNOFA-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.21
Rot. Bonds3

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

2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine (PubChem CID 64546102) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine
PubChem CID64546102
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCc2ncn[nH]2)nc1
InChIInChI=1S/C7H9N7/c8-5-1-9-7(10-2-5)11-3-6-12-4-13-14-6/h1-2,4H,3,8H2,(H,9,10,11)(H,12,13,14)
InChIKeyCMZWHZOTCJNOFA-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 2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine (CID 64546102) is 2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine is Nc1cnc(NCc2ncn[nH]2)nc1.
What is the InChIKey of 2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine?
The InChIKey is CMZWHZOTCJNOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c8-5-1-9-7(10-2-5)11-3-6-12-4-13-14-6/h1-2,4H,3,8H2,(H,9,10,11)(H,12,13,14).
What are the key properties of 2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine?
2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-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 2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 64546102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).