2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide

C12H23N5O2 — CID 115459690

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C12H23N5O2/c1-4-10(2)17(5-6-19-3)12(18)9-16-8-11(7-13)14-15-16/h8,10H,4-7,9,13H2,1-3H3
InChIKeyBNRULGSUHKFCHV-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.01
Rot. Bonds8

About 2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide (PubChem CID 115459690) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide
PubChem CID115459690
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C12H23N5O2/c1-4-10(2)17(5-6-19-3)12(18)9-16-8-11(7-13)14-15-16/h8,10H,4-7,9,13H2,1-3H3
InChIKeyBNRULGSUHKFCHV-UHFFFAOYSA-N
XLogP0.01
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001514
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 115459440
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]-propan-2-ylamino]acetic acid
CID 113314113
1-[4-(aminomethyl)triazol-1-yl]-5-methoxy-3-methylpentan-2-one
CID 116599756
2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
CID 62053642
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
2-propan-2-yloxyethyl 2-[4-(aminomethyl)triazol-1-yl]acetate
CID 115458410
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 113314194
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 115459734
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide
CID 113314205

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide (CID 115459690) is 2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide is CCC(C)N(CCOC)C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The InChIKey is BNRULGSUHKFCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-10(2)17(5-6-19-3)12(18)9-16-8-11(7-13)14-15-16/h8,10H,4-7,9,13H2,1-3H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115459690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).