2,4-dihydrotriazine-1,3,5-triamine

C3H10N6 — CID 22138291

IUPAC2,4-dihydrotriazine-1,3,5-triamine
SMILESNC1=CN(N)NN(N)C1
InChIInChI=1S/C3H10N6/c4-3-1-8(5)7-9(6)2-3/h1,7H,2,4-6H2
InChIKeyBVRQCNITMAKOKX-UHFFFAOYSA-N
MW130.16 g/mol
LogP-2.43
Rot. Bonds

About 2,4-dihydrotriazine-1,3,5-triamine

2,4-dihydrotriazine-1,3,5-triamine (PubChem CID 22138291) has the molecular formula C3H10N6 and a molecular weight of 130.16 g/mol. Its IUPAC name is 2,4-dihydrotriazine-1,3,5-triamine.

Molecular Properties

Compound Name2,4-dihydrotriazine-1,3,5-triamine
PubChem CID22138291
Molecular FormulaC3H10N6
Molecular Weight130.16 g/mol
Exact Mass130.10
IUPAC Name2,4-dihydrotriazine-1,3,5-triamine
SMILESNC1=CN(N)NN(N)C1
InChIInChI=1S/C3H10N6/c4-3-1-8(5)7-9(6)2-3/h1,7H,2,4-6H2
InChIKeyBVRQCNITMAKOKX-UHFFFAOYSA-N
XLogP-2.43
TPSA96.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 5-2.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydrotriazine-1,3,5-triamine?
The IUPAC name of 2,4-dihydrotriazine-1,3,5-triamine (CID 22138291) is 2,4-dihydrotriazine-1,3,5-triamine.
What is the SMILES notation for 2,4-dihydrotriazine-1,3,5-triamine?
The canonical SMILES for 2,4-dihydrotriazine-1,3,5-triamine is NC1=CN(N)NN(N)C1.
What is the InChIKey of 2,4-dihydrotriazine-1,3,5-triamine?
The InChIKey is BVRQCNITMAKOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N6/c4-3-1-8(5)7-9(6)2-3/h1,7H,2,4-6H2.
What are the key properties of 2,4-dihydrotriazine-1,3,5-triamine?
2,4-dihydrotriazine-1,3,5-triamine has a molecular weight of 130.16 g/mol, XLogP of -2.43, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydrotriazine-1,3,5-triamine is sourced from PubChem (CID 22138291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).