(4,6-diamino-1,3,5-triazin-2-yl)carbamic acid

C4H6N6O2 — CID 21493768

IUPAC(4,6-diamino-1,3,5-triazin-2-yl)carbamic acid
SMILESNc1nc(N)nc(NC(=O)O)n1
InChIInChI=1S/C4H6N6O2/c5-1-7-2(6)9-3(8-1)10-4(11)12/h(H,11,12)(H5,5,6,7,8,9,10)
InChIKeyYAEYVYSLSVLGKH-UHFFFAOYSA-N
MW170.13 g/mol
LogP-0.87
Rot. Bonds1

About (4,6-diamino-1,3,5-triazin-2-yl)carbamic acid

(4,6-diamino-1,3,5-triazin-2-yl)carbamic acid (PubChem CID 21493768) has the molecular formula C4H6N6O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is (4,6-diamino-1,3,5-triazin-2-yl)carbamic acid.

Molecular Properties

Compound Name(4,6-diamino-1,3,5-triazin-2-yl)carbamic acid
PubChem CID21493768
Molecular FormulaC4H6N6O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name(4,6-diamino-1,3,5-triazin-2-yl)carbamic acid
SMILESNc1nc(N)nc(NC(=O)O)n1
InChIInChI=1S/C4H6N6O2/c5-1-7-2(6)9-3(8-1)10-4(11)12/h(H,11,12)(H5,5,6,7,8,9,10)
InChIKeyYAEYVYSLSVLGKH-UHFFFAOYSA-N
XLogP-0.87
TPSA140.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(Diamino-1,3,5-triazin-2-yl)urea
CID 14438739
Melamine carbamate
CID 66589829
(4,6-Dimethoxy-1,3,5-triazin-2-yl)carbamic acid
CID 18947511
1,3,5-Triazin-2-ylcarbamic acid
CID 20077889
[4,6-Bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid
CID 21202880
[(4,6-Diamino-1,3,5-triazin-2-yl)amino]methanetriol
CID 21889750
[4-Amino-6-(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid
CID 69332414
Carbonic acid;1,3,5-triazine-2,4,6-triamine
CID 69538892
Carbamic acid;1,3,5-triazine-2,4,6-triamine
CID 69638470
methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate
CID 70187333
Carbamic acid;1,3,5-triazine-2,4,6-triamine
CID 139451720
Carbamoyloxycarbamic acid;1,3,5-triazine-2,4,6-triamine
CID 139451721

Frequently Asked Questions

What is the IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)carbamic acid?
The IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)carbamic acid (CID 21493768) is (4,6-diamino-1,3,5-triazin-2-yl)carbamic acid.
What is the SMILES notation for (4,6-diamino-1,3,5-triazin-2-yl)carbamic acid?
The canonical SMILES for (4,6-diamino-1,3,5-triazin-2-yl)carbamic acid is Nc1nc(N)nc(NC(=O)O)n1.
What is the InChIKey of (4,6-diamino-1,3,5-triazin-2-yl)carbamic acid?
The InChIKey is YAEYVYSLSVLGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O2/c5-1-7-2(6)9-3(8-1)10-4(11)12/h(H,11,12)(H5,5,6,7,8,9,10).
What are the key properties of (4,6-diamino-1,3,5-triazin-2-yl)carbamic acid?
(4,6-diamino-1,3,5-triazin-2-yl)carbamic acid has a molecular weight of 170.13 g/mol, XLogP of -0.87, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diamino-1,3,5-triazin-2-yl)carbamic acid is sourced from PubChem (CID 21493768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).