N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide

C9H15N5O — CID 82018027

IUPACN-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn(CC2(N)CC2)nn1
InChIInChI=1S/C9H15N5O/c1-7(15)11-4-8-5-14(13-12-8)6-9(10)2-3-9/h5H,2-4,6,10H2,1H3,(H,11,15)
InChIKeyXDNLWPLAZHTWCR-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.59
Rot. Bonds4

About N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide

N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide (PubChem CID 82018027) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide
PubChem CID82018027
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn(CC2(N)CC2)nn1
InChIInChI=1S/C9H15N5O/c1-7(15)11-4-8-5-14(13-12-8)6-9(10)2-3-9/h5H,2-4,6,10H2,1H3,(H,11,15)
InChIKeyXDNLWPLAZHTWCR-UHFFFAOYSA-N
XLogP-0.59
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458127
N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide
CID 139547934
2-[4-[[(1-aminocyclohexanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458075
2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458213
1-[(1-benzyltriazol-4-yl)methyl]-3-(2-oxopropyl)urea
CID 90805878
N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 155944475
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
2-[4-[[(2-methylthiolan-2-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458793
2-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458126
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193581
4-(bromomethyl)-1-[(1-methylcyclobutyl)methyl]triazole
CID 130601543

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide (CID 82018027) is N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide is CC(=O)NCc1cn(CC2(N)CC2)nn1.
What is the InChIKey of N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide?
The InChIKey is XDNLWPLAZHTWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-7(15)11-4-8-5-14(13-12-8)6-9(10)2-3-9/h5H,2-4,6,10H2,1H3,(H,11,15).
What are the key properties of N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide?
N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide has a molecular weight of 209.25 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 82018027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).