1-(diaminomethylideneamino)-1-nitrosourea

C2H6N6O2 — CID 151823247

IUPAC1-(diaminomethylideneamino)-1-nitrosourea
SMILESNC(=O)N(N=O)N=C(N)N
InChIInChI=1S/C2H6N6O2/c3-1(4)6-8(7-10)2(5)9/h(H2,5,9)(H4,3,4,6)
InChIKeySDBKVRXZXYLWOG-UHFFFAOYSA-N
MW146.11 g/mol
LogP-1.76
Rot. Bonds2

About 1-(diaminomethylideneamino)-1-nitrosourea

1-(diaminomethylideneamino)-1-nitrosourea (PubChem CID 151823247) has the molecular formula C2H6N6O2 and a molecular weight of 146.11 g/mol. Its IUPAC name is 1-(diaminomethylideneamino)-1-nitrosourea.

Molecular Properties

Compound Name1-(diaminomethylideneamino)-1-nitrosourea
PubChem CID151823247
Molecular FormulaC2H6N6O2
Molecular Weight146.11 g/mol
Exact Mass146.06
IUPAC Name1-(diaminomethylideneamino)-1-nitrosourea
SMILESNC(=O)N(N=O)N=C(N)N
InChIInChI=1S/C2H6N6O2/c3-1(4)6-8(7-10)2(5)9/h(H2,5,9)(H4,3,4,6)
InChIKeySDBKVRXZXYLWOG-UHFFFAOYSA-N
XLogP-1.76
TPSA140.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.11
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 1-(diaminomethylideneamino)-1-nitrosourea?
The IUPAC name of 1-(diaminomethylideneamino)-1-nitrosourea (CID 151823247) is 1-(diaminomethylideneamino)-1-nitrosourea.
What is the SMILES notation for 1-(diaminomethylideneamino)-1-nitrosourea?
The canonical SMILES for 1-(diaminomethylideneamino)-1-nitrosourea is NC(=O)N(N=O)N=C(N)N.
What is the InChIKey of 1-(diaminomethylideneamino)-1-nitrosourea?
The InChIKey is SDBKVRXZXYLWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N6O2/c3-1(4)6-8(7-10)2(5)9/h(H2,5,9)(H4,3,4,6).
What are the key properties of 1-(diaminomethylideneamino)-1-nitrosourea?
1-(diaminomethylideneamino)-1-nitrosourea has a molecular weight of 146.11 g/mol, XLogP of -1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylideneamino)-1-nitrosourea is sourced from PubChem (CID 151823247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).