N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide

C14H21N5O — CID 75391988

IUPACN-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide
SMILESCC(C)c1nc(NC(=O)CCCn2cccc2)n(C)n1
InChIInChI=1S/C14H21N5O/c1-11(2)13-16-14(18(3)17-13)15-12(20)7-6-10-19-8-4-5-9-19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,15,16,17,20)
InChIKeyCXQXDEIMESMYTA-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.16
Rot. Bonds6

About N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide

N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide (PubChem CID 75391988) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide
PubChem CID75391988
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide
SMILESCC(C)c1nc(NC(=O)CCCn2cccc2)n(C)n1
InChIInChI=1S/C14H21N5O/c1-11(2)13-16-14(18(3)17-13)15-12(20)7-6-10-19-8-4-5-9-19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,15,16,17,20)
InChIKeyCXQXDEIMESMYTA-UHFFFAOYSA-N
XLogP2.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 53557215
1-ethyl-3-[(1Z,3E)-4-pyrrol-1-ylbuta-1,3-dienyl]-1,2,4-triazole
CID 44472415
3-Tert-butyl-4-(1-methylpyrrol-2-yl)-1,2,4-triazole
CID 59485423
N-[1-(2-methylidenebutanoylamino)ethyl]-2-(1-methylpyrrol-2-yl)tetrazole-5-carboxamide
CID 169026912
N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)-4-(1H-pyrrol-1-yl)butanamide
CID 49741006
1-(2-Methylpropyl)-5-(pyrrol-1-ylmethyl)-1,2,4-triazole
CID 65622011
N-[(1-methylpyrrol-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 66399622
N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66403914
2-methyl-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66403982
N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methanamine
CID 66404079
N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404135
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66404388

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide (CID 75391988) is N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide is CC(C)c1nc(NC(=O)CCCn2cccc2)n(C)n1.
What is the InChIKey of N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide?
The InChIKey is CXQXDEIMESMYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)13-16-14(18(3)17-13)15-12(20)7-6-10-19-8-4-5-9-19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,15,16,17,20).
What are the key properties of N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide?
N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide has a molecular weight of 275.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 75391988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).