2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C10H17N5O — CID 64532137

IUPAC2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(CNCC1CC1)NCCc1ncn[nH]1
InChIInChI=1S/C10H17N5O/c16-10(6-11-5-8-1-2-8)12-4-3-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15)
InChIKeyQQMNGPNHKDNDCN-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.54
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64532137) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64532137
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(CNCC1CC1)NCCc1ncn[nH]1
InChIInChI=1S/C10H17N5O/c16-10(6-11-5-8-1-2-8)12-4-3-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15)
InChIKeyQQMNGPNHKDNDCN-UHFFFAOYSA-N
XLogP-0.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
2-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64531149
N-(oxan-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546747
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618296
methyl 2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]acetate
CID 112617333
3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530153
3-piperidin-4-yloxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530751
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64546220
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 64531607

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64532137) is 2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is O=C(CNCC1CC1)NCCc1ncn[nH]1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is QQMNGPNHKDNDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c16-10(6-11-5-8-1-2-8)12-4-3-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64532137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).