1,3,5-triazin-2-ylmethanediamine

C4H7N5 — CID 57028845

IUPAC1,3,5-triazin-2-ylmethanediamine
SMILESNC(N)c1ncncn1
InChIInChI=1S/C4H7N5/c5-3(6)4-8-1-7-2-9-4/h1-3H,5-6H2
InChIKeyVWKJGDMXSRWDCT-UHFFFAOYSA-N
MW125.13 g/mol
LogP-1.21
Rot. Bonds1

About 1,3,5-triazin-2-ylmethanediamine

1,3,5-triazin-2-ylmethanediamine (PubChem CID 57028845) has the molecular formula C4H7N5 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1,3,5-triazin-2-ylmethanediamine.

Molecular Properties

Compound Name1,3,5-triazin-2-ylmethanediamine
PubChem CID57028845
Molecular FormulaC4H7N5
Molecular Weight125.13 g/mol
Exact Mass125.07
IUPAC Name1,3,5-triazin-2-ylmethanediamine
SMILESNC(N)c1ncncn1
InChIInChI=1S/C4H7N5/c5-3(6)4-8-1-7-2-9-4/h1-3H,5-6H2
InChIKeyVWKJGDMXSRWDCT-UHFFFAOYSA-N
XLogP-1.21
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-1,3,5-triazin-2-amine
CID 33971
2-Methyl-1,3,5-triazine
CID 19208
6-(Aminomethyl)-1,3,5-triazine-2,4-diamine
CID 353088
(1,3,5-Triazin-2-YL)methanamine
CID 22639528
1,3,5-Triazine-2,4-dimethanamine
CID 68488480
4-(Difluoromethyl)-1,3,5-triazin-2-amine
CID 130737438
4-(Fluoromethyl)-1,3,5-triazin-2-amine
CID 175936607
Methyl(isopropylamino)-sym-triazine
CID 22444768
6-(Aminomethyl)-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 51072266
N-ethyl-4-methyl-1,3,5-triazin-2-amine
CID 35087
2-(1,3,5-Triazin-2-yl)ethanamine
CID 13828988
1,3,5-Triazine-2-carboximidamide
CID 18358921

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-ylmethanediamine?
The IUPAC name of 1,3,5-triazin-2-ylmethanediamine (CID 57028845) is 1,3,5-triazin-2-ylmethanediamine.
What is the SMILES notation for 1,3,5-triazin-2-ylmethanediamine?
The canonical SMILES for 1,3,5-triazin-2-ylmethanediamine is NC(N)c1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-ylmethanediamine?
The InChIKey is VWKJGDMXSRWDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5/c5-3(6)4-8-1-7-2-9-4/h1-3H,5-6H2.
What are the key properties of 1,3,5-triazin-2-ylmethanediamine?
1,3,5-triazin-2-ylmethanediamine has a molecular weight of 125.13 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-ylmethanediamine is sourced from PubChem (CID 57028845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).