CID 174881615

CH4N8 — CID 174881615

IUPAC—
SMILESNc1nn[nH]n1.[N-]=[N+]=N
InChIInChI=1S/CH3N5.HN3/c2-1-3-5-6-4-1;1-3-2/h(H3,2,3,4,5,6);1H
InChIKeyNBKPODHPOYUUAY-UHFFFAOYSA-N
MW128.10 g/mol
LogP-0.34
Rot. Bonds

About CID 174881615

CID 174881615 (PubChem CID 174881615) has the molecular formula CH4N8 and a molecular weight of 128.10 g/mol.

Molecular Properties

Compound NameCID 174881615
PubChem CID174881615
Molecular FormulaCH4N8
Molecular Weight128.10 g/mol
Exact Mass128.06
IUPAC Name—
SMILESNc1nn[nH]n1.[N-]=[N+]=N
InChIInChI=1S/CH3N5.HN3/c2-1-3-5-6-4-1;1-3-2/h(H3,2,3,4,5,6);1H
InChIKeyNBKPODHPOYUUAY-UHFFFAOYSA-N
XLogP-0.34
TPSA140.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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hydrogen peroxide;2H-tetrazol-5-amine
CID 87704631
1H-pyrrole;2H-tetrazol-5-amine
CID 157483039
iron(3+);oxygen(2-);2H-tetrazol-5-amine;nitrate
CID 161287015
5-(1-diazoethyl)-2H-tetrazole
CID 11116050
bis(2H-tetrazol-5-yl)diazene;guanidine
CID 173025906
methanamine;5-methyl-2H-tetrazole
CID 162293320
2H-tetrazol-5-ylmethanamine
CID 5146781
2,4-dichloro-6-methoxy-1,3,5-triazine;1-(4,6-dimethoxy-1,3,5-triazin-2-yl)tetrazol-5-amine;2H-tetrazol-5-amine
CID 158787494
5-(difluoromethylsulfonyl)-2H-tetrazole
CID 146170152

Frequently Asked Questions

What is the IUPAC name of CID 174881615?
The IUPAC name of CID 174881615 (CID 174881615) is not available.
What is the SMILES notation for CID 174881615?
The canonical SMILES for CID 174881615 is Nc1nn[nH]n1.[N-]=[N+]=N.
What is the InChIKey of CID 174881615?
The InChIKey is NBKPODHPOYUUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N5.HN3/c2-1-3-5-6-4-1;1-3-2/h(H3,2,3,4,5,6);1H.
What are the key properties of CID 174881615?
CID 174881615 has a molecular weight of 128.10 g/mol, XLogP of -0.34, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174881615 is sourced from PubChem (CID 174881615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).