(diaminomethylideneamino)urea;hydrochloride

C2H8ClN5O — CID 87522234

IUPAC(diaminomethylideneamino)urea;hydrochloride
SMILESCl.NC(=O)NN=C(N)N
InChIInChI=1S/C2H7N5O.ClH/c3-1(4)6-7-2(5)8;/h(H4,3,4,6)(H3,5,7,8);1H
InChIKeyKLYFNBCPJMSZRN-UHFFFAOYSA-N
MW153.57 g/mol
LogP-1.74
Rot. Bonds1

About (diaminomethylideneamino)urea;hydrochloride

(diaminomethylideneamino)urea;hydrochloride (PubChem CID 87522234) has the molecular formula C2H8ClN5O and a molecular weight of 153.57 g/mol. Its IUPAC name is (diaminomethylideneamino)urea;hydrochloride.

Molecular Properties

Compound Name(diaminomethylideneamino)urea;hydrochloride
PubChem CID87522234
Molecular FormulaC2H8ClN5O
Molecular Weight153.57 g/mol
Exact Mass153.04
IUPAC Name(diaminomethylideneamino)urea;hydrochloride
SMILESCl.NC(=O)NN=C(N)N
InChIInChI=1S/C2H7N5O.ClH/c3-1(4)6-7-2(5)8;/h(H4,3,4,6)(H3,5,7,8);1H
InChIKeyKLYFNBCPJMSZRN-UHFFFAOYSA-N
XLogP-1.74
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-aminoethylideneamino)urea
CID 85436939
(diaminomethylideneamino)carbamic acid;hydrate
CID 139065812
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
(2Z)-2-(carbamoylhydrazinylidene)propanoic acid
CID 5484325
(3-hydroxyiminobutan-2-ylideneamino)urea
CID 137209965
N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607
2-[[(Z)-4-oxopent-2-en-2-yl]amino]guanidine
CID 6420456
(1E)-N-(carbamoylamino)ethanimidoyl cyanide
CID 55281069
(2E)-2-(carbamoylhydrazinylidene)-3-fluoropropanoic acid
CID 6070737
(2E)-2-(carbamoylhydrazinylidene)-3-methylbutanoic acid
CID 119098074
3-bromo-2-(carbamoylhydrazinylidene)propanoic acid
CID 175439457
1-(diaminomethylideneamino)-2-hydroxyguanidine
CID 176534885

Frequently Asked Questions

What is the IUPAC name of (diaminomethylideneamino)urea;hydrochloride?
The IUPAC name of (diaminomethylideneamino)urea;hydrochloride (CID 87522234) is (diaminomethylideneamino)urea;hydrochloride.
What is the SMILES notation for (diaminomethylideneamino)urea;hydrochloride?
The canonical SMILES for (diaminomethylideneamino)urea;hydrochloride is Cl.NC(=O)NN=C(N)N.
What is the InChIKey of (diaminomethylideneamino)urea;hydrochloride?
The InChIKey is KLYFNBCPJMSZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N5O.ClH/c3-1(4)6-7-2(5)8;/h(H4,3,4,6)(H3,5,7,8);1H.
What are the key properties of (diaminomethylideneamino)urea;hydrochloride?
(diaminomethylideneamino)urea;hydrochloride has a molecular weight of 153.57 g/mol, XLogP of -1.74, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (diaminomethylideneamino)urea;hydrochloride is sourced from PubChem (CID 87522234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).