5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

C14H25N5O — CID 106610714

IUPAC5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCCN(CC1CCCN1)C(=O)c1n[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-4-8-19(9-11-6-5-7-15-11)14(20)13-16-12(10(2)3)17-18-13/h10-11,15H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyIQAPVTPBKXHVLE-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.53
Rot. Bonds6

About 5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106610714) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID106610714
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCCN(CC1CCCN1)C(=O)c1n[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-4-8-19(9-11-6-5-7-15-11)14(20)13-16-12(10(2)3)17-18-13/h10-11,15H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyIQAPVTPBKXHVLE-UHFFFAOYSA-N
XLogP1.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106609199
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
N-cyclopropyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106599359
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
N,2-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106610385
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
CID 106625552
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106753772
5-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)oxolane-2-carboxamide
CID 106610382
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (CID 106610714) is 5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is CCCN(CC1CCCN1)C(=O)c1n[nH]c(C(C)C)n1.
What is the InChIKey of 5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is IQAPVTPBKXHVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-8-19(9-11-6-5-7-15-11)14(20)13-16-12(10(2)3)17-18-13/h10-11,15H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106610714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).