2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C9H15N5O — CID 61365653

IUPAC2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CC1CCCN1)NCc1ncn[nH]1
InChIInChI=1S/C9H15N5O/c15-9(4-7-2-1-3-10-7)11-5-8-12-6-13-14-8/h6-7,10H,1-5H2,(H,11,15)(H,12,13,14)
InChIKeyMVLQHDPWZXKVSD-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.44
Rot. Bonds4

About 2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 61365653) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID61365653
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CC1CCCN1)NCc1ncn[nH]1
InChIInChI=1S/C9H15N5O/c15-9(4-7-2-1-3-10-7)11-5-8-12-6-13-14-8/h6-7,10H,1-5H2,(H,11,15)(H,12,13,14)
InChIKeyMVLQHDPWZXKVSD-UHFFFAOYSA-N
XLogP-0.44
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63824820
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
CID 64563265
1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64531785
3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54883297
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 80520792
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330
2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 103164811
4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 54884851
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119896093

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 61365653) is 2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(CC1CCCN1)NCc1ncn[nH]1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is MVLQHDPWZXKVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c15-9(4-7-2-1-3-10-7)11-5-8-12-6-13-14-8/h6-7,10H,1-5H2,(H,11,15)(H,12,13,14).
What are the key properties of 2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 209.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 61365653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).