N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide

C13H19N5O — CID 64512371

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C13H19N5O/c1-4-7-18-8-5-6-11(18)13(19)17(3)9-12-14-10(2)15-16-12/h5-6,8H,4,7,9H2,1-3H3,(H,14,15,16)
InChIKeyKLUJWUSDRDJTBO-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.60
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 64512371) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID64512371
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C13H19N5O/c1-4-7-18-8-5-6-11(18)13(19)17(3)9-12-14-10(2)15-16-12/h5-6,8H,4,7,9H2,1-3H3,(H,14,15,16)
InChIKeyKLUJWUSDRDJTBO-UHFFFAOYSA-N
XLogP1.60
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide (CID 64512371) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is KLUJWUSDRDJTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-7-18-8-5-6-11(18)13(19)17(3)9-12-14-10(2)15-16-12/h5-6,8H,4,7,9H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 64512371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).