2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide

C9H17N5O3 — CID 106188363

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
SMILESCOCC(CO)NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C9H17N5O3/c1-17-6-8(5-15)11-9(16)4-14-3-7(2-10)12-13-14/h3,8,15H,2,4-6,10H2,1H3,(H,11,16)
InChIKeyFLAUCNZRLZDPOD-UHFFFAOYSA-N
MW243.27 g/mol
LogP-2.14
Rot. Bonds7

About 2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide (PubChem CID 106188363) has the molecular formula C9H17N5O3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
PubChem CID106188363
Molecular FormulaC9H17N5O3
Molecular Weight243.27 g/mol
Exact Mass243.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
SMILESCOCC(CO)NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C9H17N5O3/c1-17-6-8(5-15)11-9(16)4-14-3-7(2-10)12-13-14/h3,8,15H,2,4-6,10H2,1H3,(H,11,16)
InChIKeyFLAUCNZRLZDPOD-UHFFFAOYSA-N
XLogP-2.14
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide
CID 113314205
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-methylbutanoate
CID 115459149
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-4-hydroxybutanoic acid
CID 113314121
2-[4-(aminomethyl)triazol-1-yl]-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 106161594
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112
(2S,3R)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 155809964
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 115459604
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194550
2-[4-(aminomethyl)triazol-1-yl]-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 115459468
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
1-[4-(aminomethyl)triazol-1-yl]-5-methoxy-3-methylpentan-2-one
CID 116599756

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide (CID 106188363) is 2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide is COCC(CO)NC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The InChIKey is FLAUCNZRLZDPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3/c1-17-6-8(5-15)11-9(16)4-14-3-7(2-10)12-13-14/h3,8,15H,2,4-6,10H2,1H3,(H,11,16).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide has a molecular weight of 243.27 g/mol, XLogP of -2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 106188363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).