N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide

C10H17N5O — CID 104971914

IUPACN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCC[C@H]1CCCN1
InChIInChI=1S/C10H17N5O/c16-10(6-15-8-11-7-14-15)13-5-3-9-2-1-4-12-9/h7-9,12H,1-6H2,(H,13,16)/t9-/m1/s1
InChIKeyIBZCBPRYOREGDZ-SECBINFHSA-N
MW223.28 g/mol
LogP-0.46
Rot. Bonds5

About N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 104971914) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID104971914
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCC[C@H]1CCCN1
InChIInChI=1S/C10H17N5O/c16-10(6-15-8-11-7-14-15)13-5-3-9-2-1-4-12-9/h7-9,12H,1-6H2,(H,13,16)/t9-/m1/s1
InChIKeyIBZCBPRYOREGDZ-SECBINFHSA-N
XLogP-0.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrrolidin-2-ylethyl)-2-(tetrazol-1-yl)acetamide
CID 114793795
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2-(tetrazol-1-yl)acetamide
CID 104954996
N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119509840
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106607472
2-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955365
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211
2-[3-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126454178
1-ethyl-1-methyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794049

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 104971914) is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCC[C@H]1CCCN1.
What is the InChIKey of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is IBZCBPRYOREGDZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N5O/c16-10(6-15-8-11-7-14-15)13-5-3-9-2-1-4-12-9/h7-9,12H,1-6H2,(H,13,16)/t9-/m1/s1.
What are the key properties of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 104971914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).