(2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide

C11H20N6O — CID 125438070

IUPAC(2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
SMILESC[C@H](CN1CCCC1)C(=O)NCc1nc(N)n[nH]1
InChIInChI=1S/C11H20N6O/c1-8(7-17-4-2-3-5-17)10(18)13-6-9-14-11(12)16-15-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15,16)/t8-/m1/s1
InChIKeyRDIFXBNADMAITP-MRVPVSSYSA-N
MW252.32 g/mol
LogP-0.26
Rot. Bonds5

About (2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide

(2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide (PubChem CID 125438070) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
PubChem CID125438070
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name(2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
SMILESC[C@H](CN1CCCC1)C(=O)NCc1nc(N)n[nH]1
InChIInChI=1S/C11H20N6O/c1-8(7-17-4-2-3-5-17)10(18)13-6-9-14-11(12)16-15-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15,16)/t8-/m1/s1
InChIKeyRDIFXBNADMAITP-MRVPVSSYSA-N
XLogP-0.26
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide (CID 125438070) is (2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide is C[C@H](CN1CCCC1)C(=O)NCc1nc(N)n[nH]1.
What is the InChIKey of (2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide?
The InChIKey is RDIFXBNADMAITP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-8(7-17-4-2-3-5-17)10(18)13-6-9-14-11(12)16-15-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15,16)/t8-/m1/s1.
What are the key properties of (2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide?
(2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide has a molecular weight of 252.32 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 125438070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).