3-N-methyl-2,4-dihydrotriazole-3,5-diamine

C3H9N5 — CID 163495469

IUPAC3-N-methyl-2,4-dihydrotriazole-3,5-diamine
SMILESCNN1CC(N)=NN1
InChIInChI=1S/C3H9N5/c1-5-8-2-3(4)6-7-8/h5,7H,2H2,1H3,(H2,4,6)
InChIKeyCQHSNPGQPULEDC-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.79
Rot. Bonds1

About 3-N-methyl-2,4-dihydrotriazole-3,5-diamine

3-N-methyl-2,4-dihydrotriazole-3,5-diamine (PubChem CID 163495469) has the molecular formula C3H9N5 and a molecular weight of 115.14 g/mol. Its IUPAC name is 3-N-methyl-2,4-dihydrotriazole-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-2,4-dihydrotriazole-3,5-diamine
PubChem CID163495469
Molecular FormulaC3H9N5
Molecular Weight115.14 g/mol
Exact Mass115.09
IUPAC Name3-N-methyl-2,4-dihydrotriazole-3,5-diamine
SMILESCNN1CC(N)=NN1
InChIInChI=1S/C3H9N5/c1-5-8-2-3(4)6-7-8/h5,7H,2H2,1H3,(H2,4,6)
InChIKeyCQHSNPGQPULEDC-UHFFFAOYSA-N
XLogP-1.79
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-2,4-dihydrotriazole-3,5-diamine?
The IUPAC name of 3-N-methyl-2,4-dihydrotriazole-3,5-diamine (CID 163495469) is 3-N-methyl-2,4-dihydrotriazole-3,5-diamine.
What is the SMILES notation for 3-N-methyl-2,4-dihydrotriazole-3,5-diamine?
The canonical SMILES for 3-N-methyl-2,4-dihydrotriazole-3,5-diamine is CNN1CC(N)=NN1.
What is the InChIKey of 3-N-methyl-2,4-dihydrotriazole-3,5-diamine?
The InChIKey is CQHSNPGQPULEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N5/c1-5-8-2-3(4)6-7-8/h5,7H,2H2,1H3,(H2,4,6).
What are the key properties of 3-N-methyl-2,4-dihydrotriazole-3,5-diamine?
3-N-methyl-2,4-dihydrotriazole-3,5-diamine has a molecular weight of 115.14 g/mol, XLogP of -1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-2,4-dihydrotriazole-3,5-diamine is sourced from PubChem (CID 163495469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).