5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine

C6H10N4 — CID 94191683

IUPAC5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine
SMILESC[C@@H]1C[C@H]1c1nc(N)n[nH]1
InChIInChI=1S/C6H10N4/c1-3-2-4(3)5-8-6(7)10-9-5/h3-4H,2H2,1H3,(H3,7,8,9,10)/t3-,4-/m1/s1
InChIKeyGILLLQJMOROSSS-QWWZWVQMSA-N
MW138.17 g/mol
LogP0.51
Rot. Bonds1

About 5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine

5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine (PubChem CID 94191683) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine
PubChem CID94191683
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine
SMILESC[C@@H]1C[C@H]1c1nc(N)n[nH]1
InChIInChI=1S/C6H10N4/c1-3-2-4(3)5-8-6(7)10-9-5/h3-4H,2H2,1H3,(H3,7,8,9,10)/t3-,4-/m1/s1
InChIKeyGILLLQJMOROSSS-QWWZWVQMSA-N
XLogP0.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine (CID 94191683) is 5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine is C[C@@H]1C[C@H]1c1nc(N)n[nH]1.
What is the InChIKey of 5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is GILLLQJMOROSSS-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H10N4/c1-3-2-4(3)5-8-6(7)10-9-5/h3-4H,2H2,1H3,(H3,7,8,9,10)/t3-,4-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine?
5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 138.17 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-methylcyclopropyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 94191683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).