(3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine

C12H21N5 — CID 72882922

IUPAC(3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCn1ncnc1CN1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C12H21N5/c1-2-17-12(14-8-15-17)7-16-5-10(9-3-4-9)11(13)6-16/h8-11H,2-7,13H2,1H3/t10-,11+/m1/s1
InChIKeyVVKSPKZRQQYPTQ-MNOVXSKESA-N
MW235.33 g/mol
LogP0.47
Rot. Bonds4

About (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 72882922) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID72882922
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name(3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCn1ncnc1CN1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C12H21N5/c1-2-17-12(14-8-15-17)7-16-5-10(9-3-4-9)11(13)6-16/h8-11H,2-7,13H2,1H3/t10-,11+/m1/s1
InChIKeyVVKSPKZRQQYPTQ-MNOVXSKESA-N
XLogP0.47
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine (CID 72882922) is (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine is CCn1ncnc1CN1C[C@H](C2CC2)[C@@H](N)C1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is VVKSPKZRQQYPTQ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H21N5/c1-2-17-12(14-8-15-17)7-16-5-10(9-3-4-9)11(13)6-16/h8-11H,2-7,13H2,1H3/t10-,11+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 72882922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).