N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide

C11H19N5O — CID 136519412

IUPACN,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1cnnn1C
InChIInChI=1S/C11H19N5O/c1-14(2)11(17)10-5-4-6-16(10)8-9-7-12-13-15(9)3/h7,10H,4-6,8H2,1-3H3
InChIKeyBKZYPISJIGVWGW-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.13
Rot. Bonds3

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

N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 136519412) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID136519412
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1cnnn1C
InChIInChI=1S/C11H19N5O/c1-14(2)11(17)10-5-4-6-16(10)8-9-7-12-13-15(9)3/h7,10H,4-6,8H2,1-3H3
InChIKeyBKZYPISJIGVWGW-UHFFFAOYSA-N
XLogP-0.13
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 136519412) is N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1Cc1cnnn1C.
What is the InChIKey of N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BKZYPISJIGVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-14(2)11(17)10-5-4-6-16(10)8-9-7-12-13-15(9)3/h7,10H,4-6,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide?
N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3-methyltriazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136519412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).