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

C10H18ClN5O — CID 119509840

IUPACN-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
SMILESCl.O=C(CCn1cncn1)NCC1CCCN1
InChIInChI=1S/C10H17N5O.ClH/c16-10(3-5-15-8-11-7-14-15)13-6-9-2-1-4-12-9;/h7-9,12H,1-6H2,(H,13,16);1H
InChIKeyHXAXLTMAZXFPBW-UHFFFAOYSA-N
MW259.74 g/mol
LogP-0.04
Rot. Bonds5

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

N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride (PubChem CID 119509840) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
PubChem CID119509840
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC NameN-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
SMILESCl.O=C(CCn1cncn1)NCC1CCCN1
InChIInChI=1S/C10H17N5O.ClH/c16-10(3-5-15-8-11-7-14-15)13-6-9-2-1-4-12-9;/h7-9,12H,1-6H2,(H,13,16);1H
InChIKeyHXAXLTMAZXFPBW-UHFFFAOYSA-N
XLogP-0.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211
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CID 104971914
N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042127
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62665464
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 106611811
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512599
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510463

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride (CID 119509840) is N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride is Cl.O=C(CCn1cncn1)NCC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride?
The InChIKey is HXAXLTMAZXFPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O.ClH/c16-10(3-5-15-8-11-7-14-15)13-6-9-2-1-4-12-9;/h7-9,12H,1-6H2,(H,13,16);1H.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride?
N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119509840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).