1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide

C12H21N5O2 — CID 79316371

IUPAC1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H21N5O2/c1-9(2)16(4-3-5-18)12(19)11-8-17(15-14-11)10-6-13-7-10/h8-10,13,18H,3-7H2,1-2H3
InChIKeyAWXBDNYHPAXRLA-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.34
Rot. Bonds6

About 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide

1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide (PubChem CID 79316371) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide
PubChem CID79316371
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C12H21N5O2/c1-9(2)16(4-3-5-18)12(19)11-8-17(15-14-11)10-6-13-7-10/h8-10,13,18H,3-7H2,1-2H3
InChIKeyAWXBDNYHPAXRLA-UHFFFAOYSA-N
XLogP-0.34
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
CID 79316126
N-(cyclopropylmethyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 63284248
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
CID 79317057
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
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
CID 79316138
1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide
CID 79316224
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
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide (CID 79316371) is 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide is CC(C)N(CCCO)C(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is AWXBDNYHPAXRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(2)16(4-3-5-18)12(19)11-8-17(15-14-11)10-6-13-7-10/h8-10,13,18H,3-7H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide?
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.34, 6 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-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 79316371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).