N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

C12H21N5O — CID 114138265

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2CCCN2C)n[nH]1
InChIInChI=1S/C12H21N5O/c1-8(2)10-14-11(16-15-10)12(18)13-7-9-5-4-6-17(9)3/h8-9H,4-7H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyMMANHZZYWLFNSF-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.75
Rot. Bonds4

About N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114138265) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
PubChem CID114138265
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2CCCN2C)n[nH]1
InChIInChI=1S/C12H21N5O/c1-8(2)10-14-11(16-15-10)12(18)13-7-9-5-4-6-17(9)3/h8-9H,4-7H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyMMANHZZYWLFNSF-UHFFFAOYSA-N
XLogP0.75
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 106137453
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096
N-[(2S)-2-hydroxypropyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 107858442
4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62083205
N-(4-hydroxybutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 83188390
N-(3,3-difluoro-2-hydroxypropyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 114094043
2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propylpyridine-4-carboxamide
CID 106025941
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbutanamide
CID 106024016
5-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)-1H-1,2,4-triazole-3-carboxamide
CID 106293692
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 114138605
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (CID 114138265) is N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is CC(C)c1nc(C(=O)NCC2CCCN2C)n[nH]1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is MMANHZZYWLFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(2)10-14-11(16-15-10)12(18)13-7-9-5-4-6-17(9)3/h8-9H,4-7H2,1-3H3,(H,13,18)(H,14,15,16).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114138265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).