1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide

C10H17N5O2 — CID 114230177

IUPAC1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
SMILESCN(CCCO)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H17N5O2/c1-14(3-2-4-16)10(17)9-7-15(13-12-9)8-5-11-6-8/h7-8,11,16H,2-6H2,1H3
InChIKeyJJELLJCKQFMNFJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.12
Rot. Bonds5

About 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide

1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide (PubChem CID 114230177) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
PubChem CID114230177
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
SMILESCN(CCCO)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C10H17N5O2/c1-14(3-2-4-16)10(17)9-7-15(13-12-9)8-5-11-6-8/h7-8,11,16H,2-6H2,1H3
InChIKeyJJELLJCKQFMNFJ-UHFFFAOYSA-N
XLogP-1.12
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide
CID 79316371
4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
CID 63284811
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide
CID 79316701
1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
CID 79317057
1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide
CID 79327138
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-propylamino]acetic acid
CID 79316931
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-methylamino]butanoic acid
CID 79317005
N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 79841941
1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide
CID 79315991
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide (CID 114230177) is 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide is CN(CCCO)C(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide?
The InChIKey is JJELLJCKQFMNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14(3-2-4-16)10(17)9-7-15(13-12-9)8-5-11-6-8/h7-8,11,16H,2-6H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide?
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 114230177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).