N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride

C7H10ClN5O — CID 142435601

IUPACN-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nccnn1)C1CNC1
InChIInChI=1S/C7H9N5O.ClH/c13-6(5-3-8-4-5)11-7-9-1-2-10-12-7;/h1-2,5,8H,3-4H2,(H,9,11,12,13);1H
InChIKeyVBYZDHYZLMTZSN-UHFFFAOYSA-N
MW215.64 g/mol
LogP-0.55
Rot. Bonds2

About N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride

N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride (PubChem CID 142435601) has the molecular formula C7H10ClN5O and a molecular weight of 215.64 g/mol. Its IUPAC name is N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride
PubChem CID142435601
Molecular FormulaC7H10ClN5O
Molecular Weight215.64 g/mol
Exact Mass215.06
IUPAC NameN-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nccnn1)C1CNC1
InChIInChI=1S/C7H9N5O.ClH/c13-6(5-3-8-4-5)11-7-9-1-2-10-12-7;/h1-2,5,8H,3-4H2,(H,9,11,12,13);1H
InChIKeyVBYZDHYZLMTZSN-UHFFFAOYSA-N
XLogP-0.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide
CID 114388995
N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 114387742
4-amino-N-(1,2,4-triazin-3-yl)cyclopent-2-ene-1-carboxamide
CID 114387739
2-piperidin-3-yl-N-(1,2,4-triazin-3-yl)acetamide
CID 114387894
2-(1,2,4-triazin-3-ylcarbamoylamino)acetic acid
CID 114388624
N-(2-methyl-3-pyridinyl)azetidine-3-carboxamide
CID 79044396
N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
CID 106896192
N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146314378
N-(5-ethyl-1,3-thiazol-2-yl)azetidine-3-carboxamide;hydrochloride
CID 130678944
N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide
CID 142435308
N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 131159805
N-(5-methyl-1,2-oxazol-4-yl)azetidine-3-carboxamide;hydrochloride
CID 131047943

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride (CID 142435601) is N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1nccnn1)C1CNC1.
What is the InChIKey of N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride?
The InChIKey is VBYZDHYZLMTZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O.ClH/c13-6(5-3-8-4-5)11-7-9-1-2-10-12-7;/h1-2,5,8H,3-4H2,(H,9,11,12,13);1H.
What are the key properties of N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride?
N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride has a molecular weight of 215.64 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 142435601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).