N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

C10H17N5O — CID 106607472

IUPACN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(CC1CCCN1)C(=O)Cn1cncn1
InChIInChI=1S/C10H17N5O/c1-14(5-9-3-2-4-12-9)10(16)6-15-8-11-7-13-15/h7-9,12H,2-6H2,1H3
InChIKeyVQQOYRKHOZYHDW-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.51
Rot. Bonds4

About N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 106607472) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID106607472
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(CC1CCCN1)C(=O)Cn1cncn1
InChIInChI=1S/C10H17N5O/c1-14(5-9-3-2-4-12-9)10(16)6-15-8-11-7-13-15/h7-9,12H,2-6H2,1H3
InChIKeyVQQOYRKHOZYHDW-UHFFFAOYSA-N
XLogP-0.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607976
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 106611811
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104971914
N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607972
N-ethyl-N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 60807405
2-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607818
N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 106628190
3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607554
N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119509840
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106608720
N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
CID 107973687

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 106607472) is N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is CN(CC1CCCN1)C(=O)Cn1cncn1.
What is the InChIKey of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is VQQOYRKHOZYHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-14(5-9-3-2-4-12-9)10(16)6-15-8-11-7-13-15/h7-9,12H,2-6H2,1H3.
What are the key properties of N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 106607472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).