N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide

C12H21N5O — CID 110196063

IUPACN-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(Cc2nncn2C(C)C)C1
InChIInChI=1S/C12H21N5O/c1-9(2)17-8-14-15-11(17)6-10-4-5-16(7-10)12(18)13-3/h8-10H,4-7H2,1-3H3,(H,13,18)
InChIKeyYERHCJJNUYDVCW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.06
Rot. Bonds3

About N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide

N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 110196063) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID110196063
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC(Cc2nncn2C(C)C)C1
InChIInChI=1S/C12H21N5O/c1-9(2)17-8-14-15-11(17)6-10-4-5-16(7-10)12(18)13-3/h8-10H,4-7H2,1-3H3,(H,13,18)
InChIKeyYERHCJJNUYDVCW-UHFFFAOYSA-N
XLogP1.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide (CID 110196063) is N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide is CNC(=O)N1CCC(Cc2nncn2C(C)C)C1.
What is the InChIKey of N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is YERHCJJNUYDVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(2)17-8-14-15-11(17)6-10-4-5-16(7-10)12(18)13-3/h8-10H,4-7H2,1-3H3,(H,13,18).
What are the key properties of N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide?
N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 110196063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).