N'-propan-2-yl-2H-triazole-4-carbohydrazide

C6H11N5O — CID 90679864

IUPACN'-propan-2-yl-2H-triazole-4-carbohydrazide
SMILESCC(C)NNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H11N5O/c1-4(2)8-10-6(12)5-3-7-11-9-5/h3-4,8H,1-2H3,(H,10,12)(H,7,9,11)
InChIKeyKDYYXIXQQRWQGU-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.55
Rot. Bonds3

About N'-propan-2-yl-2H-triazole-4-carbohydrazide

N'-propan-2-yl-2H-triazole-4-carbohydrazide (PubChem CID 90679864) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is N'-propan-2-yl-2H-triazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-propan-2-yl-2H-triazole-4-carbohydrazide
PubChem CID90679864
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC NameN'-propan-2-yl-2H-triazole-4-carbohydrazide
SMILESCC(C)NNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H11N5O/c1-4(2)8-10-6(12)5-3-7-11-9-5/h3-4,8H,1-2H3,(H,10,12)(H,7,9,11)
InChIKeyKDYYXIXQQRWQGU-UHFFFAOYSA-N
XLogP-0.55
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-2H-triazole-4-carbohydrazide?
The IUPAC name of N'-propan-2-yl-2H-triazole-4-carbohydrazide (CID 90679864) is N'-propan-2-yl-2H-triazole-4-carbohydrazide.
What is the SMILES notation for N'-propan-2-yl-2H-triazole-4-carbohydrazide?
The canonical SMILES for N'-propan-2-yl-2H-triazole-4-carbohydrazide is CC(C)NNC(=O)c1cn[nH]n1.
What is the InChIKey of N'-propan-2-yl-2H-triazole-4-carbohydrazide?
The InChIKey is KDYYXIXQQRWQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4(2)8-10-6(12)5-3-7-11-9-5/h3-4,8H,1-2H3,(H,10,12)(H,7,9,11).
What are the key properties of N'-propan-2-yl-2H-triazole-4-carbohydrazide?
N'-propan-2-yl-2H-triazole-4-carbohydrazide has a molecular weight of 169.19 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-2H-triazole-4-carbohydrazide is sourced from PubChem (CID 90679864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).