(3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine

C10H19N5 — CID 72876629

IUPAC(3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine
SMILESCC(C)[C@H]1CN(Cc2cn[nH]n2)C[C@@H]1N
InChIInChI=1S/C10H19N5/c1-7(2)9-5-15(6-10(9)11)4-8-3-12-14-13-8/h3,7,9-10H,4-6,11H2,1-2H3,(H,12,13,14)/t9-,10+/m1/s1
InChIKeyQWYYLRVFBLEERD-ZJUUUORDSA-N
MW209.30 g/mol
LogP0.22
Rot. Bonds3

About (3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine

(3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 72876629) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is (3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine
PubChem CID72876629
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name(3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine
SMILESCC(C)[C@H]1CN(Cc2cn[nH]n2)C[C@@H]1N
InChIInChI=1S/C10H19N5/c1-7(2)9-5-15(6-10(9)11)4-8-3-12-14-13-8/h3,7,9-10H,4-6,11H2,1-2H3,(H,12,13,14)/t9-,10+/m1/s1
InChIKeyQWYYLRVFBLEERD-ZJUUUORDSA-N
XLogP0.22
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine (CID 72876629) is (3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine is CC(C)[C@H]1CN(Cc2cn[nH]n2)C[C@@H]1N.
What is the InChIKey of (3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is QWYYLRVFBLEERD-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19N5/c1-7(2)9-5-15(6-10(9)11)4-8-3-12-14-13-8/h3,7,9-10H,4-6,11H2,1-2H3,(H,12,13,14)/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine?
(3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 209.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 72876629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).