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

C14H23N5O — CID 106608720

IUPACN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(CC1CC1)CC1CCCN1)n1cncn1
InChIInChI=1S/C14H23N5O/c1-11(19-10-15-9-17-19)14(20)18(7-12-4-5-12)8-13-3-2-6-16-13/h9-13,16H,2-8H2,1H3
InChIKeyXPNDKUKROAAOTF-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.83
Rot. Bonds6

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

N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 106608720) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID106608720
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(CC1CC1)CC1CCCN1)n1cncn1
InChIInChI=1S/C14H23N5O/c1-11(19-10-15-9-17-19)14(20)18(7-12-4-5-12)8-13-3-2-6-16-13/h9-13,16H,2-8H2,1H3
InChIKeyXPNDKUKROAAOTF-UHFFFAOYSA-N
XLogP0.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106627060
N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106629632
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608303
N-(piperidin-2-ylmethyl)-N-propyl-2-pyrazol-1-ylpropanamide
CID 106625660
N-cyclopropyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 104974023
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106607472
1-(3-pyrrolidin-2-ylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 60978671
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 106611811
2-(2,5-dimethylpyrrolidin-1-yl)-N-ethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106626206
N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide
CID 78957977
1,5-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106611340
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 106608720) is N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)N(CC1CC1)CC1CCCN1)n1cncn1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XPNDKUKROAAOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(19-10-15-9-17-19)14(20)18(7-12-4-5-12)8-13-3-2-6-16-13/h9-13,16H,2-8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 106608720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).