2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide

C11H18N8O — CID 114778203

IUPAC2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
SMILESCCCn1ncnc1Cn1cc(CNC(=O)CN)nn1
InChIInChI=1S/C11H18N8O/c1-2-3-19-10(14-8-15-19)7-18-6-9(16-17-18)5-13-11(20)4-12/h6,8H,2-5,7,12H2,1H3,(H,13,20)
InChIKeyUELGTJGYDPPBAQ-UHFFFAOYSA-N
MW278.32 g/mol
LogP-1.10
Rot. Bonds7

About 2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide

2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide (PubChem CID 114778203) has the molecular formula C11H18N8O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
PubChem CID114778203
Molecular FormulaC11H18N8O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
SMILESCCCn1ncnc1Cn1cc(CNC(=O)CN)nn1
InChIInChI=1S/C11H18N8O/c1-2-3-19-10(14-8-15-19)7-18-6-9(16-17-18)5-13-11(20)4-12/h6,8H,2-5,7,12H2,1H3,(H,13,20)
InChIKeyUELGTJGYDPPBAQ-UHFFFAOYSA-N
XLogP-1.10
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide
CID 114778855
2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]acetic acid
CID 107461773
2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778828
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778147
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
4-(1-bromopropyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazole
CID 113482860
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
CID 114778830
2-amino-N-[[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778664
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide (CID 114778203) is 2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide is CCCn1ncnc1Cn1cc(CNC(=O)CN)nn1.
What is the InChIKey of 2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide?
The InChIKey is UELGTJGYDPPBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8O/c1-2-3-19-10(14-8-15-19)7-18-6-9(16-17-18)5-13-11(20)4-12/h6,8H,2-5,7,12H2,1H3,(H,13,20).
What are the key properties of 2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide has a molecular weight of 278.32 g/mol, XLogP of -1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).