N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide

C3H5N5O2 — CID 135400506

IUPACN-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide
SMILESCc1n[nH]c(N[N+](=O)[O-])n1
InChIInChI=1S/C3H5N5O2/c1-2-4-3(6-5-2)7-8(9)10/h1H3,(H2,4,5,6,7)
InChIKeyAKRHSQIJWHJWPC-UHFFFAOYSA-N
MW143.11 g/mol
LogP-0.28
Rot. Bonds2

About N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide

N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide (PubChem CID 135400506) has the molecular formula C3H5N5O2 and a molecular weight of 143.11 g/mol. Its IUPAC name is N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide.

Molecular Properties

Compound NameN-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide
PubChem CID135400506
Molecular FormulaC3H5N5O2
Molecular Weight143.11 g/mol
Exact Mass143.04
IUPAC NameN-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide
SMILESCc1n[nH]c(N[N+](=O)[O-])n1
InChIInChI=1S/C3H5N5O2/c1-2-4-3(6-5-2)7-8(9)10/h1H3,(H2,4,5,6,7)
InChIKeyAKRHSQIJWHJWPC-UHFFFAOYSA-N
XLogP-0.28
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide?
The IUPAC name of N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide (CID 135400506) is N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide.
What is the SMILES notation for N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide?
The canonical SMILES for N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide is Cc1n[nH]c(N[N+](=O)[O-])n1.
What is the InChIKey of N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide?
The InChIKey is AKRHSQIJWHJWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N5O2/c1-2-4-3(6-5-2)7-8(9)10/h1H3,(H2,4,5,6,7).
What are the key properties of N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide?
N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide has a molecular weight of 143.11 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1H-1,2,4-triazol-5-yl)nitramide is sourced from PubChem (CID 135400506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).