(NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide

C6H10N12O4 — CID 177405404

IUPAC(NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide
SMILESO=[N+]([O-])/N=c1\nn[nH]n1CCCCn1[nH]nn/c1=N\[N+](=O)[O-]
InChIInChI=1S/C6H10N12O4/c19-17(20)9-5-7-11-13-15(5)3-1-2-4-16-6(8-12-14-16)10-18(21)22/h1-4H2,(H,7,9,13)(H,8,10,14)
InChIKeyCALWVYHQNCDDCB-UHFFFAOYSA-N
MW314.23 g/mol
LogP-2.81
Rot. Bonds7

About (NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide

(NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide (PubChem CID 177405404) has the molecular formula C6H10N12O4 and a molecular weight of 314.23 g/mol. Its IUPAC name is (NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide.

Molecular Properties

Compound Name(NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide
PubChem CID177405404
Molecular FormulaC6H10N12O4
Molecular Weight314.23 g/mol
Exact Mass314.09
IUPAC Name(NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide
SMILESO=[N+]([O-])/N=c1\nn[nH]n1CCCCn1[nH]nn/c1=N\[N+](=O)[O-]
InChIInChI=1S/C6H10N12O4/c19-17(20)9-5-7-11-13-15(5)3-1-2-4-16-6(8-12-14-16)10-18(21)22/h1-4H2,(H,7,9,13)(H,8,10,14)
InChIKeyCALWVYHQNCDDCB-UHFFFAOYSA-N
XLogP-2.81
TPSA204.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 5-2.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide?
The IUPAC name of (NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide (CID 177405404) is (NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide.
What is the SMILES notation for (NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide?
The canonical SMILES for (NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide is O=[N+]([O-])/N=c1\nn[nH]n1CCCCn1[nH]nn/c1=N\[N+](=O)[O-].
What is the InChIKey of (NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide?
The InChIKey is CALWVYHQNCDDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N12O4/c19-17(20)9-5-7-11-13-15(5)3-1-2-4-16-6(8-12-14-16)10-18(21)22/h1-4H2,(H,7,9,13)(H,8,10,14).
What are the key properties of (NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide?
(NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide has a molecular weight of 314.23 g/mol, XLogP of -2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-[(5Z)-5-nitroimino-2H-tetrazol-1-yl]butyl]-2H-tetrazol-5-ylidene]nitramide is sourced from PubChem (CID 177405404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).