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

C12H21N5O — CID 60806180

IUPACN-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCCN(C(=O)CCn1cncn1)C1CCNC1
InChIInChI=1S/C12H21N5O/c1-2-6-17(11-3-5-13-8-11)12(18)4-7-16-10-14-9-15-16/h9-11,13H,2-8H2,1H3
InChIKeyINNAWXBCKLXZHS-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.27
Rot. Bonds6

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

N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 60806180) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID60806180
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCCN(C(=O)CCn1cncn1)C1CCNC1
InChIInChI=1S/C12H21N5O/c1-2-6-17(11-3-5-13-8-11)12(18)4-7-16-10-14-9-15-16/h9-11,13H,2-8H2,1H3
InChIKeyINNAWXBCKLXZHS-UHFFFAOYSA-N
XLogP0.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119530274
N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride
CID 119921495
N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 54942539
3-imidazol-1-yl-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823501
N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride
CID 119823537
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide
CID 66182453
3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119532209
N-ethyl-N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 60807405
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211
3-(4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824565
N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide
CID 60807791

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide (CID 60806180) is N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide is CCCN(C(=O)CCn1cncn1)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is INNAWXBCKLXZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-6-17(11-3-5-13-8-11)12(18)4-7-16-10-14-9-15-16/h9-11,13H,2-8H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 60806180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).