2H-pyrimidine-1,2,4-triamine

C4H9N5 — CID 18455683

IUPAC2H-pyrimidine-1,2,4-triamine
SMILESNC1=NC(N)N(N)C=C1
InChIInChI=1S/C4H9N5/c5-3-1-2-9(7)4(6)8-3/h1-2,4H,6-7H2,(H2,5,8)
InChIKeyCLQJQZUNNQYPOW-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.71
Rot. Bonds

About 2H-pyrimidine-1,2,4-triamine

2H-pyrimidine-1,2,4-triamine (PubChem CID 18455683) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 2H-pyrimidine-1,2,4-triamine.

Molecular Properties

Compound Name2H-pyrimidine-1,2,4-triamine
PubChem CID18455683
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name2H-pyrimidine-1,2,4-triamine
SMILESNC1=NC(N)N(N)C=C1
InChIInChI=1S/C4H9N5/c5-3-1-2-9(7)4(6)8-3/h1-2,4H,6-7H2,(H2,5,8)
InChIKeyCLQJQZUNNQYPOW-UHFFFAOYSA-N
XLogP-1.71
TPSA93.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrimidine-1,2,4-triamine?
The IUPAC name of 2H-pyrimidine-1,2,4-triamine (CID 18455683) is 2H-pyrimidine-1,2,4-triamine.
What is the SMILES notation for 2H-pyrimidine-1,2,4-triamine?
The canonical SMILES for 2H-pyrimidine-1,2,4-triamine is NC1=NC(N)N(N)C=C1.
What is the InChIKey of 2H-pyrimidine-1,2,4-triamine?
The InChIKey is CLQJQZUNNQYPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c5-3-1-2-9(7)4(6)8-3/h1-2,4H,6-7H2,(H2,5,8).
What are the key properties of 2H-pyrimidine-1,2,4-triamine?
2H-pyrimidine-1,2,4-triamine has a molecular weight of 127.15 g/mol, XLogP of -1.71, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimidine-1,2,4-triamine is sourced from PubChem (CID 18455683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).