4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen

C3H9N3 — CID 144649688

IUPAC4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen
SMILESCC1=CNNN1.[H][H]
InChIInChI=1S/C3H7N3.H2/c1-3-2-4-6-5-3;/h2,4-6H,1H3;1H
InChIKeyGVHWSUISZUWZIR-UHFFFAOYSA-N
MW87.13 g/mol
LogP-0.29
Rot. Bonds

About 4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen

4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen (PubChem CID 144649688) has the molecular formula C3H9N3 and a molecular weight of 87.13 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen
PubChem CID144649688
Molecular FormulaC3H9N3
Molecular Weight87.13 g/mol
Exact Mass87.08
IUPAC Name4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen
SMILESCC1=CNNN1.[H][H]
InChIInChI=1S/C3H7N3.H2/c1-3-2-4-6-5-3;/h2,4-6H,1H3;1H
InChIKeyGVHWSUISZUWZIR-UHFFFAOYSA-N
XLogP-0.29
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.13
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-2,3-dihydro-1H-pyrazole
CID 20607206
1,2,4-Trimethyl-triazole
CID 129788352
2-Fluoro-4-methyl-1,3-dihydrotriazole
CID 144561664
4-(1-fluoroethyl)-2,3-dihydro-1H-triazole
CID 145303685
d5-Methylpyrazole
CID 129817964
(Z)-3-fluoro-1-hydrazinylprop-1-en-2-amine
CID 171649263
3-Deuterio-5-propan-2-yl-1,2-dihydrotriazole
CID 57867573
4-propan-2-yl-2,3-dihydro-1H-triazole
CID 58111237
4-methyl-2,3-dihydro-1H-triazole
CID 58866189
Prop-1-en-2-ylhydrazine
CID 59514914
3,5-Dimethyl-1,2-dihydrotriazole
CID 59556528
1H-azastibol-4-ylhydrazine
CID 67230715

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen?
The IUPAC name of 4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen (CID 144649688) is 4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen.
What is the SMILES notation for 4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen?
The canonical SMILES for 4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen is CC1=CNNN1.[H][H].
What is the InChIKey of 4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen?
The InChIKey is GVHWSUISZUWZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3.H2/c1-3-2-4-6-5-3;/h2,4-6H,1H3;1H.
What are the key properties of 4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen?
4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen has a molecular weight of 87.13 g/mol, XLogP of -0.29, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1H-triazole;molecular hydrogen is sourced from PubChem (CID 144649688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).