1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine

C8H14N4 — CID 165472993

IUPAC1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine
SMILESCC[C@@H]1C[C@H]1Cn1cc(N)nn1
InChIInChI=1S/C8H14N4/c1-2-6-3-7(6)4-12-5-8(9)10-11-12/h5-7H,2-4,9H2,1H3/t6-,7+/m1/s1
InChIKeyPZVZQKPZUSQNSY-RQJHMYQMSA-N
MW166.23 g/mol
LogP0.91
Rot. Bonds3

About 1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine

1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine (PubChem CID 165472993) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine
PubChem CID165472993
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine
SMILESCC[C@@H]1C[C@H]1Cn1cc(N)nn1
InChIInChI=1S/C8H14N4/c1-2-6-3-7(6)4-12-5-8(9)10-11-12/h5-7H,2-4,9H2,1H3/t6-,7+/m1/s1
InChIKeyPZVZQKPZUSQNSY-RQJHMYQMSA-N
XLogP0.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine?
The IUPAC name of 1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine (CID 165472993) is 1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine.
What is the SMILES notation for 1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine?
The canonical SMILES for 1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine is CC[C@@H]1C[C@H]1Cn1cc(N)nn1.
What is the InChIKey of 1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine?
The InChIKey is PZVZQKPZUSQNSY-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-6-3-7(6)4-12-5-8(9)10-11-12/h5-7H,2-4,9H2,1H3/t6-,7+/m1/s1.
What are the key properties of 1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine?
1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine has a molecular weight of 166.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine is sourced from PubChem (CID 165472993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).