N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide

C13H21N5O — CID 104974211

IUPACN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C13H21N5O/c19-13(5-7-17-10-14-9-16-17)18(12-3-4-12)8-11-2-1-6-15-11/h9-12,15H,1-8H2
InChIKeyOHEHGWASVBJDSW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.41
Rot. Bonds6

About N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide

N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 104974211) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID104974211
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C13H21N5O/c19-13(5-7-17-10-14-9-16-17)18(12-3-4-12)8-11-2-1-6-15-11/h9-12,15H,1-8H2
InChIKeyOHEHGWASVBJDSW-UHFFFAOYSA-N
XLogP0.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 106611811
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106607472
N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119509840
N-cyclopropyl-3-imidazol-1-yl-N-(piperidin-2-ylmethyl)propanamide
CID 106627075
N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 54942539
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 106626774
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106627060
N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607972
N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 129401167
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3-pyridin-4-ylpropanamide
CID 106626977
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104971914

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 104974211) is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is OHEHGWASVBJDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-13(5-7-17-10-14-9-16-17)18(12-3-4-12)8-11-2-1-6-15-11/h9-12,15H,1-8H2.
What are the key properties of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 104974211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).