N-(4,6-diamino-1,3,5-triazin-2-yl)formamide

C4H6N6O — CID 20638897

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)formamide
SMILESNc1nc(N)nc(N[14CH]=O)n1
InChIInChI=1S/C4H6N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h1H,(H5,5,6,7,8,9,10,11)/i1+2
InChIKeyBPISYIZLDVUTAP-NJFSPNSNSA-N
MW156.13 g/mol
LogP-1.40
Rot. Bonds2

About N-(4,6-diamino-1,3,5-triazin-2-yl)formamide

N-(4,6-diamino-1,3,5-triazin-2-yl)formamide (PubChem CID 20638897) has the molecular formula C4H6N6O and a molecular weight of 156.13 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)formamide.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)formamide
PubChem CID20638897
Molecular FormulaC4H6N6O
Molecular Weight156.13 g/mol
Exact Mass156.06
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)formamide
SMILESNc1nc(N)nc(N[14CH]=O)n1
InChIInChI=1S/C4H6N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h1H,(H5,5,6,7,8,9,10,11)/i1+2
InChIKeyBPISYIZLDVUTAP-NJFSPNSNSA-N
XLogP-1.40
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 21279630
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
1,3,5-triazine-2,4,6-triamine
CID 22011128
2-N-iodo-1,3,5-triazine-2,4,6-triamine
CID 23373384
CID 158808778
CID 158808778
N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea
CID 159363516
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
2-N-isocyanato-1,3,5-triazine-2,4,6-triamine
CID 87126018
tris(6-hydrazinyl-1,3,5-triazine-2,4-diamine);phosphoric acid
CID 173004298
CID 161237942
CID 161237942
azane;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382

Frequently Asked Questions

What is the IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide (CID 20638897) is N-(4,6-diamino-1,3,5-triazin-2-yl)formamide.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)formamide is Nc1nc(N)nc(N[14CH]=O)n1.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
The InChIKey is BPISYIZLDVUTAP-NJFSPNSNSA-N. The full InChI is InChI=1S/C4H6N6O/c5-2-8-3(6)10-4(9-2)7-1-11/h1H,(H5,5,6,7,8,9,10,11)/i1+2.
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide?
N-(4,6-diamino-1,3,5-triazin-2-yl)formamide has a molecular weight of 156.13 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)formamide is sourced from PubChem (CID 20638897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).