methanamine;triazinane

C4H14N4 — CID 159272795

IUPACmethanamine;triazinane
SMILESC1CNNNC1.CN
InChIInChI=1S/C3H9N3.CH5N/c1-2-4-6-5-3-1;1-2/h4-6H,1-3H2;2H2,1H3
InChIKeyKXXORAMKENJQCG-UHFFFAOYSA-N
MW118.18 g/mol
LogP-1.44
Rot. Bonds

About methanamine;triazinane

methanamine;triazinane (PubChem CID 159272795) has the molecular formula C4H14N4 and a molecular weight of 118.18 g/mol. Its IUPAC name is methanamine;triazinane.

Molecular Properties

Compound Namemethanamine;triazinane
PubChem CID159272795
Molecular FormulaC4H14N4
Molecular Weight118.18 g/mol
Exact Mass118.12
IUPAC Namemethanamine;triazinane
SMILESC1CNNNC1.CN
InChIInChI=1S/C3H9N3.CH5N/c1-2-4-6-5-3-1;1-2/h4-6H,1-3H2;2H2,1H3
InChIKeyKXXORAMKENJQCG-UHFFFAOYSA-N
XLogP-1.44
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Diazinane
CID 136334
1,2,3-Triazinane
CID 16048634
3,6-Diethyl-1,2,4,5-tetrazinane
CID 11159380
1-Methyltriazinane
CID 20480274
Triazinan-1-amine
CID 20559076
1,1-Dimethyltriazinan-1-ium
CID 20686677
1-Ethyltriazinane
CID 21393778
N,N-bis(methylamino)-3-(2-methylhydrazinyl)propan-1-amine
CID 22013738
3-(2-Ethylhydrazinyl)propan-1-amine
CID 22639501
1-Propyltriazinane
CID 22670022
2-Methylpropan-2-amine;triazinane
CID 67398782
N,N-dimethyl-2-propyltriazinan-1-amine
CID 69202895

Frequently Asked Questions

What is the IUPAC name of methanamine;triazinane?
The IUPAC name of methanamine;triazinane (CID 159272795) is methanamine;triazinane.
What is the SMILES notation for methanamine;triazinane?
The canonical SMILES for methanamine;triazinane is C1CNNNC1.CN.
What is the InChIKey of methanamine;triazinane?
The InChIKey is KXXORAMKENJQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.CH5N/c1-2-4-6-5-3-1;1-2/h4-6H,1-3H2;2H2,1H3.
What are the key properties of methanamine;triazinane?
methanamine;triazinane has a molecular weight of 118.18 g/mol, XLogP of -1.44, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;triazinane is sourced from PubChem (CID 159272795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).