1-methyl-2,4-dihydrotriazine-3,5-diamine

C4H11N5 — CID 139712983

IUPAC1-methyl-2,4-dihydrotriazine-3,5-diamine
SMILESCN1C=C(N)CN(N)N1
InChIInChI=1S/C4H11N5/c1-8-2-4(5)3-9(6)7-8/h2,7H,3,5-6H2,1H3
InChIKeyYQDYVZCEZSHMTG-UHFFFAOYSA-N
MW129.17 g/mol
LogP-1.67
Rot. Bonds

About 1-methyl-2,4-dihydrotriazine-3,5-diamine

1-methyl-2,4-dihydrotriazine-3,5-diamine (PubChem CID 139712983) has the molecular formula C4H11N5 and a molecular weight of 129.17 g/mol. Its IUPAC name is 1-methyl-2,4-dihydrotriazine-3,5-diamine.

Molecular Properties

Compound Name1-methyl-2,4-dihydrotriazine-3,5-diamine
PubChem CID139712983
Molecular FormulaC4H11N5
Molecular Weight129.17 g/mol
Exact Mass129.10
IUPAC Name1-methyl-2,4-dihydrotriazine-3,5-diamine
SMILESCN1C=C(N)CN(N)N1
InChIInChI=1S/C4H11N5/c1-8-2-4(5)3-9(6)7-8/h2,7H,3,5-6H2,1H3
InChIKeyYQDYVZCEZSHMTG-UHFFFAOYSA-N
XLogP-1.67
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.17
LogP ≤ 5-1.67
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 1-methyl-2,4-dihydrotriazine-3,5-diamine?
The IUPAC name of 1-methyl-2,4-dihydrotriazine-3,5-diamine (CID 139712983) is 1-methyl-2,4-dihydrotriazine-3,5-diamine.
What is the SMILES notation for 1-methyl-2,4-dihydrotriazine-3,5-diamine?
The canonical SMILES for 1-methyl-2,4-dihydrotriazine-3,5-diamine is CN1C=C(N)CN(N)N1.
What is the InChIKey of 1-methyl-2,4-dihydrotriazine-3,5-diamine?
The InChIKey is YQDYVZCEZSHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5/c1-8-2-4(5)3-9(6)7-8/h2,7H,3,5-6H2,1H3.
What are the key properties of 1-methyl-2,4-dihydrotriazine-3,5-diamine?
1-methyl-2,4-dihydrotriazine-3,5-diamine has a molecular weight of 129.17 g/mol, XLogP of -1.67, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dihydrotriazine-3,5-diamine is sourced from PubChem (CID 139712983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).