6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine

C9H14ClN9 — CID 106194548

IUPAC6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2nn[nH]n2)n1
InChIInChI=1S/C9H14ClN9/c1-3-19(4-2)9-13-7(10)12-8(14-9)11-5-6-15-17-18-16-6/h3-5H2,1-2H3,(H,11,12,13,14)(H,15,16,17,18)
InChIKeyIODQKMLYOMXRCC-UHFFFAOYSA-N
MW283.73 g/mol
LogP0.50
Rot. Bonds6

About 6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 106194548) has the molecular formula C9H14ClN9 and a molecular weight of 283.73 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID106194548
Molecular FormulaC9H14ClN9
Molecular Weight283.73 g/mol
Exact Mass283.11
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2nn[nH]n2)n1
InChIInChI=1S/C9H14ClN9/c1-3-19(4-2)9-13-7(10)12-8(14-9)11-5-6-15-17-18-16-6/h3-5H2,1-2H3,(H,11,12,13,14)(H,15,16,17,18)
InChIKeyIODQKMLYOMXRCC-UHFFFAOYSA-N
XLogP0.50
TPSA108.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4,6-dichloro-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106194511
6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
6-chloro-4-N-[2-(dimethylamino)-2-methylpropyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 62864491
6-chloro-2-N,2-N-diethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 106194753
6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194409
6-chloro-2-N,2-N-diethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 63959456
2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
CID 106196572
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106193353
6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863713
4-N-but-3-ynyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 106194921
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 55125502

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 106194548) is 6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCc2nn[nH]n2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IODQKMLYOMXRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN9/c1-3-19(4-2)9-13-7(10)12-8(14-9)11-5-6-15-17-18-16-6/h3-5H2,1-2H3,(H,11,12,13,14)(H,15,16,17,18).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 283.73 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106194548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).